Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.62 |
| ▸ | RECQL | P46063 | 1/20 | 0.62 |
| ▸ | RAB9A | P51151 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.46 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.46 |
| ▸ | WNT3A | P56704 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Bromide SCHEMBL5260108 | 0.90 | HDAC3 (0.52) | TP53RECQLRAB9AALDH1A1NOTUM | |
| Bromide SCHEMBL5262644 | 0.76 | KDR (0.51) | RAB9ANOTUMCTNNB1WNT3AKMT2A | |
| SCHEMBL1162253 | 0.76 | TP53 (0.60) | TP53RECQLRAB9AALDH1A1HDAC3 | |
| SCHEMBL5340727 | 0.75 | RAB9A (0.59) | TP53RECQLRAB9AALDH1A1HDAC3 | |
| Bromide SCHEMBL5256184 | 0.74 | HDAC3 (0.52) | TP53RECQLRAB9AHDAC3KDR | |
| SCHEMBL18381486 | 0.74 | TP53 (0.55) | TP53RECQLRAB9AALDH1A1NOTUM | |
| SCHEMBL5341489 | 0.74 | RAB9A (0.55) | TP53RECQLRAB9AALDH1A1NOTUM | |
| Bromide SCHEMBL8967719 | 0.73 | MAPK1 (0.59) | TP53RAB9AALDH1A1CTNNB1WNT3A | |
| SCHEMBL5258963 | 0.71 | MAPK1 (0.60) | TP53RAB9AALDH1A1CTNNB1WNT3A | |
| SCHEMBL11381286 | 0.71 | ERCC5 (0.51) | TP53RAB9AALDH1A1CTNNB1WNT3A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1578424-A4 | SUBSTITUTED 1-BENZOYL-3-CYANO-PYRROLO 1,2-A| QUINOLINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS | CYTOVIA INC (US) | 2007-08-08 | — | — | EP | disclosed |
| EP-1578424-A2 | SUBSTITUTED 1-BENZOYL-3-CYANO-PYRROLO 1,2-A] QUINOLINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS | Cytovia, Inc. (US) | 2005-09-28 | — | — | EP | disclosed |
| WO-2004055163-A2 | SUBSTITUTED 1-BENZOYL-3-CYANO-PYRROLO[1,2-A]QUINOLINES | CYTOVIA, INC. (US) | 2004-07-01 | — | — | WO | disclosed |